4-(2-methylpropoxy)-N-(2-methylpropyl)aniline

C14H23NO — CID 83946363

IUPAC4-(2-methylpropoxy)-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1ccc(OCC(C)C)cc1
InChIInChI=1S/C14H23NO/c1-11(2)9-15-13-5-7-14(8-6-13)16-10-12(3)4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyVMBVNWNCRZWGAL-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.79
Rot. Bonds6

About 4-(2-methylpropoxy)-N-(2-methylpropyl)aniline

4-(2-methylpropoxy)-N-(2-methylpropyl)aniline (PubChem CID 83946363) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-(2-methylpropyl)aniline
PubChem CID83946363
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(2-methylpropoxy)-N-(2-methylpropyl)aniline
SMILESCC(C)CNc1ccc(OCC(C)C)cc1
InChIInChI=1S/C14H23NO/c1-11(2)9-15-13-5-7-14(8-6-13)16-10-12(3)4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyVMBVNWNCRZWGAL-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54808031
1-N-[4-(2-methylpropoxy)phenyl]butane-1,2-diamine
CID 83946331
N-(2-methylpropyl)-4-phenylmethoxyaniline
CID 57172587
N-[[4-(2-methylpropoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 39455797
4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 34884368
sodium 2-[4-(2-methylpropoxy)anilino]acetate
CID 23687419
N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820398
N-[2-(2,6-dimethylphenoxy)ethyl]-4-(2-methylpropoxy)aniline
CID 54799152
N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride
CID 84760646
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
1-(4-methylanilino)-3-(4-methylphenoxy)propane-2-thiol
CID 172698762
4-(2-methylpropylamino)phenol
CID 15847203

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-(2-methylpropyl)aniline?
The IUPAC name of 4-(2-methylpropoxy)-N-(2-methylpropyl)aniline (CID 83946363) is 4-(2-methylpropoxy)-N-(2-methylpropyl)aniline.
What is the SMILES notation for 4-(2-methylpropoxy)-N-(2-methylpropyl)aniline?
The canonical SMILES for 4-(2-methylpropoxy)-N-(2-methylpropyl)aniline is CC(C)CNc1ccc(OCC(C)C)cc1.
What is the InChIKey of 4-(2-methylpropoxy)-N-(2-methylpropyl)aniline?
The InChIKey is VMBVNWNCRZWGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)9-15-13-5-7-14(8-6-13)16-10-12(3)4/h5-8,11-12,15H,9-10H2,1-4H3.
What are the key properties of 4-(2-methylpropoxy)-N-(2-methylpropyl)aniline?
4-(2-methylpropoxy)-N-(2-methylpropyl)aniline has a molecular weight of 221.34 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-(2-methylpropyl)aniline is sourced from PubChem (CID 83946363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).